2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C22H19Cl3N2O2 — CID 66539842

IUPAC2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H19Cl3N2O2/c1-14-2-5-19(6-3-14)27-22(28)13-29-21-7-4-16(23)8-15(21)12-26-20-10-17(24)9-18(25)11-20/h2-11,26H,12-13H2,1H3,(H,27,28)
InChIKeyGYNCMIMARVALDM-UHFFFAOYSA-N
MW449.77 g/mol
LogP6.58
Rot. Bonds7

About 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66539842) has the molecular formula C22H19Cl3N2O2 and a molecular weight of 449.77 g/mol. Its IUPAC name is 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66539842
Molecular FormulaC22H19Cl3N2O2
Molecular Weight449.77 g/mol
Exact Mass448.05
IUPAC Name2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H19Cl3N2O2/c1-14-2-5-19(6-3-14)27-22(28)13-29-21-7-4-16(23)8-15(21)12-26-20-10-17(24)9-18(25)11-20/h2-11,26H,12-13H2,1H3,(H,27,28)
InChIKeyGYNCMIMARVALDM-UHFFFAOYSA-N
XLogP6.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539550
2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51996467
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66526372
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66541717
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-[4-chloro-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986965
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66541523
2-[5-bromo-4-[(3,5-dichloro-4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66542946

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 66539842) is 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is GYNCMIMARVALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O2/c1-14-2-5-19(6-3-14)27-22(28)13-29-21-7-4-16(23)8-15(21)12-26-20-10-17(24)9-18(25)11-20/h2-11,26H,12-13H2,1H3,(H,27,28).
What are the key properties of 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 449.77 g/mol, XLogP of 6.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66539842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).